--- trunk/src/applications/staticProps/GofR.cpp 2005/02/09 18:21:19 308 +++ trunk/src/applications/staticProps/GofR.cpp 2005/02/10 14:15:52 309 @@ -73,8 +73,8 @@ void GofR::processHistogram() { for(int i = 0 ; i < histogram_.size(); ++i){ - double rLower = i * delta_; - double rUpper = rLower + delta_; + double rLower = i * deltaR_; + double rUpper = rLower + deltaR_; double volSlice = ( rUpper * rUpper * rUpper ) - ( rLower * rLower * rLower ); double nIdeal = volSlice * pairConstant; @@ -96,7 +96,7 @@ void GofR::collectHistogram(StuntDouble* sd1, StuntDou double distance = r12.length(); - int whichBin = distance / delta_; + int whichBin = distance / deltaR_; histogram_[whichBin] ++; npairs_++; } @@ -110,7 +110,7 @@ void GofR::writeRdf() { rdfStream << "selection2: (" << selectionScript2_ << ")\n"; rdfStream << "#r\tcorrValue\n"; for (int i = 0; i < avgGofr_.size(); ++i) { - double r = delta_ * (i + 0.5); + double r = deltaR_ * (i + 0.5); rdfStream << r << "\t" << avgGofr_[i]/nProcessed_ << "\n"; }